A1LWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C14 | doub | 1.21Å | 1.19Å | |
| C25 | C23 | sing | 1.51Å | 1.53Å | |
| O09 | C07 | doub | 1.22Å | 1.19Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C08 | sing | 1.47Å | 1.54Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | doub | 1.31Å | 1.32Å | |
| C07 | C08 | sing | 1.47Å | 1.53Å | |
| C07 | C01 | sing | 1.48Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| C08 | C10 | doub | 1.37Å | 1.33Å | |
| C06 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | O15 | sing | 1.34Å | 1.40Å | |
| N20 | C05 | sing | 1.39Å | 1.47Å | |
| N20 | C19 | sing | 1.33Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O26 | C19 | doub | 1.21Å | 1.19Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.50Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | S17 | sing | 1.77Å | 1.81Å | |
| C18 | S17 | sing | 1.82Å | 1.81Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| O15 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C14 | C13 | 119.6° | 121.2° |
| O16 | C14 | C08 | 121.6° | 121.1° |
| C25 | C23 | C24 | 119.9° | 120.0° |
| C25 | C23 | C22 | 120.7° | 120.0° |
| C23 | C25 | H20 | 109.5° | 109.5° |
| C23 | C25 | H21 | 109.5° | 109.5° |
| C23 | C25 | H22 | 109.5° | 109.5° |
| O09 | C07 | C08 | 119.0° | 120.0° |
| O09 | C07 | C01 | 117.1° | 120.0° |
| C13 | C14 | C08 | 118.9° | 117.8° |
| C14 | C13 | C12 | 109.9° | 107.7° |
| C14 | C13 | H2 | 109.4° | 109.4° |
| C14 | C13 | H3 | 109.4° | 110.1° |
| C14 | C08 | C07 | 117.9° | 120.0° |
| C14 | C08 | C10 | 117.7° | 120.1° |
| C24 | C23 | C22 | 119.4° | 120.0° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C23 | C24 | H8 | 109.5° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C23 | C22 | H6 | 120.4° | 120.0° |
| C08 | C07 | C01 | 123.9° | 120.0° |
| C07 | C08 | C10 | 122.4° | 120.0° |
| C07 | C01 | C06 | 116.9° | 120.0° |
| C07 | C01 | C02 | 119.8° | 119.9° |
| C13 | C12 | C11 | 109.5° | 109.2° |
| C12 | C13 | H2 | 109.4° | 109.8° |
| C12 | C13 | H3 | 109.4° | 109.9° |
| C13 | C12 | H16 | 109.5° | 109.5° |
| C13 | C12 | H17 | 109.5° | 109.5° |
| C22 | C21 | N20 | 116.6° | 109.5° |
| C22 | C21 | H4 | 107.7° | 109.5° |
| C22 | C21 | H5 | 107.7° | 109.5° |
| C21 | C22 | H6 | 120.5° | 120.0° |
| C21 | N20 | C05 | 112.8° | 117.1° |
| C21 | N20 | C19 | 121.7° | 117.1° |
| N20 | C21 | H4 | 107.7° | 109.5° |
| N20 | C21 | H5 | 107.7° | 109.5° |
| C08 | C10 | C11 | 118.6° | 122.6° |
| C08 | C10 | O15 | 121.2° | 118.7° |
| C01 | C06 | C05 | 120.3° | 120.1° |
| C06 | C01 | C02 | 123.3° | 120.1° |
| C01 | C06 | H12 | 119.9° | 119.9° |
| C06 | C05 | N20 | 121.6° | 119.3° |
| C06 | C05 | C04 | 116.6° | 119.2° |
| C05 | C06 | H12 | 119.8° | 120.0° |
| C01 | C02 | C03 | 117.0° | 119.8° |
| C01 | C02 | H10 | 121.5° | 120.1° |
| C11 | C10 | O15 | 116.5° | 118.7° |
| C10 | C11 | C12 | 110.5° | 111.1° |
| C10 | C11 | H14 | 109.2° | 109.1° |
| C10 | C11 | H15 | 109.2° | 109.2° |
| C10 | O15 | H23 | 109.5° | 117.0° |
| C05 | N20 | C19 | 125.4° | 125.8° |
| N20 | C05 | C04 | 121.8° | 121.5° |
| N20 | C19 | O26 | 121.5° | 118.2° |
| N20 | C19 | C18 | 123.2° | 123.5° |
| C12 | C11 | H14 | 109.2° | 109.1° |
| C12 | C11 | H15 | 109.2° | 109.1° |
| C11 | C12 | H16 | 109.5° | 109.2° |
| C11 | C12 | H17 | 109.5° | 109.8° |
| O26 | C19 | C18 | 115.3° | 118.3° |
| C05 | C04 | C03 | 123.0° | 120.7° |
| C05 | C04 | S17 | 120.1° | 119.3° |
| C19 | C18 | S17 | 112.0° | 109.0° |
| C19 | C18 | H18 | 108.8° | 109.6° |
| C19 | C18 | H19 | 108.8° | 109.7° |
| C02 | C03 | C04 | 119.7° | 120.1° |
| C03 | C02 | H10 | 121.5° | 120.1° |
| C02 | C03 | H11 | 120.1° | 119.9° |
| C03 | C04 | S17 | 116.9° | 120.1° |
| C04 | C03 | H11 | 120.1° | 120.0° |
| C04 | S17 | C18 | 107.4° | 101.8° |
| S17 | C18 | H18 | 108.8° | 109.5° |
| S17 | C18 | H19 | 108.9° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.8° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.4° | 109.2° |
| H16 | C12 | H17 | 109.5° | 109.6° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.4° |
| H20 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C14 | C13 | C08 | 180.0° | 179.4° |
| O16 | C14 | C08 | C07 | 16.6° | 11.9° |
| O16 | C14 | C13 | C12 | 176.5° | 137.3° |
| O16 | C14 | C08 | C10 | 148.0° | 168.1° |
| O16 | C14 | C13 | H2 | 63.5° | 103.3° |
| O16 | C14 | C13 | H3 | 56.4° | 17.5° |
| C25 | C23 | C24 | C22 | 179.7° | 180.0° |
| C25 | C23 | C22 | C21 | 0.1° | 175.1° |
| C25 | C23 | C22 | H6 | 179.9° | 4.9° |
| C25 | C23 | C24 | H7 | 180.0° | 95.2° |
| C25 | C23 | C24 | H8 | 60.0° | 24.8° |
| C25 | C23 | C24 | H9 | 60.0° | 144.8° |
| C23 | C25 | H20 | H21 | 120.0° | 120.0° |
| C23 | C25 | H20 | H22 | 120.0° | 120.1° |
| C23 | C25 | H21 | H22 | 120.0° | 120.0° |
| O09 | C07 | C08 | C14 | 18.2° | 114.2° |
| O09 | C07 | C08 | C01 | 179.2° | 179.9° |
| O09 | C07 | C08 | C10 | 145.5° | 65.8° |
| O09 | C07 | C01 | C06 | 72.3° | 3.5° |
| O09 | C07 | C01 | C02 | 107.1° | 176.7° |
| C13 | C14 | C08 | C07 | 163.5° | 168.7° |
| C14 | C13 | C12 | H2 | 120.1° | 119.1° |
| C14 | C13 | C12 | H3 | 120.1° | 119.9° |
| C13 | C14 | C08 | C10 | 32.0° | 11.3° |
| C14 | C13 | C12 | C11 | 48.9° | 62.9° |
| C14 | C13 | H2 | H3 | 119.8° | 121.0° |
| C14 | C13 | C12 | H16 | 168.8° | 56.7° |
| C14 | C13 | C12 | H17 | 71.2° | 176.9° |
| C14 | C08 | C07 | C10 | 163.7° | 180.0° |
| C14 | C08 | C07 | C01 | 161.0° | 65.7° |
| C08 | C14 | C13 | C12 | 3.6° | 42.1° |
| C14 | C08 | C10 | C11 | 17.5° | 0.5° |
| C14 | C08 | C10 | O15 | 175.2° | 179.7° |
| C08 | C14 | C13 | H2 | 116.5° | 77.3° |
| C08 | C14 | C13 | H3 | 123.7° | 161.9° |
| C24 | C23 | C22 | C21 | 179.8° | 4.9° |
| C24 | C23 | C22 | H6 | 0.3° | 175.1° |
| C23 | C24 | H7 | H8 | 120.0° | 120.1° |
| C23 | C24 | H7 | H9 | 120.0° | 120.0° |
| C23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | C23 | C25 | H20 | 180.0° | 90.0° |
| C24 | C23 | C25 | H21 | 60.0° | 150.0° |
| C24 | C23 | C25 | H22 | 60.0° | 30.0° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | N20 | 104.7° | 125.3° |
| C23 | C22 | C21 | H4 | 134.2° | 5.3° |
| C23 | C22 | C21 | H5 | 16.3° | 114.7° |
| C22 | C23 | C24 | H7 | 0.3° | 84.8° |
| C22 | C23 | C24 | H8 | 119.7° | 155.1° |
| C22 | C23 | C24 | H9 | 120.3° | 35.2° |
| C22 | C23 | C25 | H20 | 0.3° | 90.0° |
| C22 | C23 | C25 | H21 | 120.3° | 30.0° |
| C22 | C23 | C25 | H22 | 119.7° | 150.0° |
| C08 | C07 | C01 | C06 | 108.5° | 176.4° |
| C08 | C07 | C01 | C02 | 72.1° | 3.4° |
| C07 | C08 | C10 | C11 | 178.7° | 179.4° |
| C07 | C08 | C10 | O15 | 21.1° | 0.3° |
| C01 | C07 | C08 | C10 | 35.3° | 114.3° |
| C07 | C01 | C06 | C02 | 179.3° | 179.8° |
| C07 | C01 | C06 | C05 | 178.8° | 179.8° |
| C07 | C01 | C02 | C03 | 179.0° | 179.7° |
| C07 | C01 | C02 | H10 | 1.0° | 0.4° |
| C07 | C01 | C06 | H12 | 1.2° | 0.2° |
| C13 | C12 | C11 | C10 | 64.0° | 53.4° |
| C13 | C12 | C11 | H16 | 120.0° | 119.8° |
| C13 | C12 | C11 | H17 | 120.0° | 120.1° |
| C12 | C13 | H2 | H3 | 119.8° | 120.9° |
| C13 | C12 | C11 | H14 | 175.8° | 67.0° |
| C13 | C12 | C11 | H15 | 56.2° | 173.8° |
| C13 | C12 | H16 | H17 | 120.0° | 120.1° |
| C22 | C21 | N20 | H4 | 121.0° | 120.0° |
| C22 | C21 | N20 | H5 | 121.0° | 120.0° |
| C22 | C21 | N20 | C05 | 139.6° | 84.4° |
| C22 | C21 | N20 | C19 | 43.9° | 95.6° |
| C22 | C21 | H4 | H5 | 116.8° | 120.0° |
| C21 | N20 | C05 | C06 | 13.5° | 22.2° |
| C21 | N20 | C05 | C19 | 176.4° | 180.0° |
| C21 | N20 | C19 | O26 | 2.3° | 0.9° |
| C21 | N20 | C05 | C04 | 167.7° | 157.6° |
| C21 | N20 | C19 | C18 | 178.6° | 179.1° |
| N20 | C21 | H4 | H5 | 116.8° | 120.0° |
| N20 | C21 | C22 | H6 | 75.3° | 54.7° |
| C08 | C10 | C11 | O15 | 158.7° | 179.7° |
| C08 | C10 | C11 | C12 | 29.1° | 22.3° |
| C08 | C10 | C11 | H14 | 149.3° | 98.1° |
| C08 | C10 | C11 | H15 | 91.0° | 142.7° |
| C08 | C10 | O15 | H23 | 180.0° | 4.4° |
| C01 | C06 | C05 | H12 | 180.0° | 180.0° |
| C01 | C06 | C05 | N20 | 178.4° | 179.7° |
| C01 | C06 | C05 | C04 | 0.4° | 0.2° |
| C06 | C01 | C02 | C03 | 0.3° | 0.1° |
| C06 | C01 | C02 | H10 | 179.7° | 179.8° |
| C05 | C06 | C01 | C02 | 0.5° | 0.0° |
| C06 | C05 | N20 | C04 | 178.8° | 179.8° |
| C06 | C05 | N20 | C19 | 162.8° | 157.8° |
| C06 | C05 | C04 | C03 | 0.2° | 0.3° |
| C06 | C05 | C04 | S17 | 179.9° | 179.7° |
| C01 | C02 | C03 | H10 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C01 | C02 | C03 | H11 | 180.0° | 180.0° |
| C02 | C01 | C06 | H12 | 179.5° | 180.0° |
| C10 | C11 | C12 | H14 | 120.2° | 120.4° |
| C10 | C11 | C12 | H15 | 120.2° | 120.4° |
| C10 | C11 | H14 | H15 | 119.6° | 119.2° |
| C10 | C11 | C12 | H16 | 176.0° | 66.4° |
| C10 | C11 | C12 | H17 | 56.0° | 173.5° |
| C11 | C10 | O15 | H23 | 21.9° | 175.4° |
| O15 | C10 | C11 | C12 | 129.5° | 158.0° |
| O15 | C10 | C11 | H14 | 9.4° | 81.6° |
| O15 | C10 | C11 | H15 | 110.3° | 37.6° |
| C05 | N20 | C19 | O26 | 178.4° | 179.1° |
| C05 | N20 | C19 | C18 | 2.5° | 0.9° |
| N20 | C05 | C04 | C03 | 178.6° | 179.6° |
| N20 | C05 | C04 | S17 | 1.1° | 0.4° |
| C05 | N20 | C21 | H4 | 18.5° | 35.6° |
| C05 | N20 | C21 | H5 | 99.4° | 155.6° |
| N20 | C05 | C06 | H12 | 1.6° | 0.4° |
| N20 | C19 | O26 | C18 | 179.2° | 180.0° |
| C19 | N20 | C05 | C04 | 15.9° | 22.3° |
| N20 | C19 | C18 | S17 | 23.7° | 35.1° |
| C19 | N20 | C21 | H4 | 165.0° | 144.4° |
| C19 | N20 | C21 | H5 | 77.1° | 24.4° |
| N20 | C19 | C18 | H18 | 96.6° | 84.7° |
| N20 | C19 | C18 | H19 | 144.1° | 155.0° |
| C11 | C12 | C13 | H2 | 71.2° | 56.3° |
| C11 | C12 | C13 | H3 | 168.9° | 177.2° |
| C12 | C11 | H14 | H15 | 119.5° | 119.2° |
| C11 | C12 | H16 | H17 | 120.0° | 120.3° |
| O26 | C19 | C18 | S17 | 155.4° | 144.9° |
| O26 | C19 | C18 | H18 | 84.3° | 95.3° |
| O26 | C19 | C18 | H19 | 35.0° | 25.0° |
| C05 | C04 | C03 | C02 | 0.0° | 0.2° |
| C05 | C04 | C03 | S17 | 179.7° | 180.0° |
| C05 | C04 | S17 | C18 | 24.6° | 30.6° |
| C05 | C04 | C03 | H11 | 179.9° | 179.8° |
| C04 | C05 | C06 | H12 | 179.6° | 179.8° |
| C19 | C18 | S17 | C04 | 33.7° | 44.9° |
| C19 | C18 | S17 | H18 | 120.3° | 119.9° |
| C19 | C18 | S17 | H19 | 120.4° | 120.0° |
| C19 | C18 | H18 | H19 | 118.8° | 120.3° |
| C02 | C03 | C04 | H11 | 180.0° | 180.0° |
| C02 | C03 | C04 | S17 | 179.7° | 179.8° |
| C03 | C04 | S17 | C18 | 155.2° | 149.4° |
| C04 | C03 | C02 | H10 | 180.0° | 179.9° |
| S17 | C04 | C03 | H11 | 0.3° | 0.2° |
| C04 | S17 | C18 | H18 | 86.7° | 75.0° |
| C04 | S17 | C18 | H19 | 154.0° | 164.8° |
| S17 | C18 | H18 | H19 | 118.9° | 120.1° |
| H2 | C13 | C12 | H16 | 48.8° | 175.9° |
| H2 | C13 | C12 | H17 | 168.7° | 64.0° |
| H3 | C13 | C12 | H16 | 71.1° | 63.2° |
| H3 | C13 | C12 | H17 | 48.9° | 56.9° |
| H4 | C21 | C22 | H6 | 45.8° | 174.6° |
| H5 | C21 | C22 | H6 | 163.7° | 65.4° |
| H7 | C24 | H8 | H9 | 120.0° | 120.0° |
| H10 | C02 | C03 | H11 | 0.0° | 0.1° |
| H14 | C11 | C12 | H16 | 55.8° | 173.3° |
| H14 | C11 | C12 | H17 | 64.1° | 53.1° |
| H15 | C11 | C12 | H16 | 63.8° | 54.0° |
| H15 | C11 | C12 | H17 | 176.2° | 66.1° |
| H20 | C25 | H21 | H22 | 120.0° | 119.9° |
